N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide

C19H21N3O4 — CID 135549589

IUPACN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)CCc2ccccc2)c1O
InChIInChI=1S/C19H21N3O4/c1-26-16-9-5-8-15(19(16)25)12-21-22-18(24)13-20-17(23)11-10-14-6-3-2-4-7-14/h2-9,12,25H,10-11,13H2,1H3,(H,20,23)(H,22,24)/b21-12+
InChIKeyYNFUNHNCAJXLHK-CIAFOILYSA-N
MW355.39 g/mol
LogP1.60
Rot. Bonds8

About N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide

N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 135549589) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
PubChem CID135549589
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)CCc2ccccc2)c1O
InChIInChI=1S/C19H21N3O4/c1-26-16-9-5-8-15(19(16)25)12-21-22-18(24)13-20-17(23)11-10-14-6-3-2-4-7-14/h2-9,12,25H,10-11,13H2,1H3,(H,20,23)(H,22,24)/b21-12+
InChIKeyYNFUNHNCAJXLHK-CIAFOILYSA-N
XLogP1.60
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide (CID 135549589) is N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is COc1cccc(/C=N/NC(=O)CNC(=O)CCc2ccccc2)c1O.
What is the InChIKey of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is YNFUNHNCAJXLHK-CIAFOILYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-16-9-5-8-15(19(16)25)12-21-22-18(24)13-20-17(23)11-10-14-6-3-2-4-7-14/h2-9,12,25H,10-11,13H2,1H3,(H,20,23)(H,22,24)/b21-12+.
What are the key properties of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 355.39 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 135549589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).